Geometry & MOs

Info

ID:	418596
PubChem CID:	135106037
Reduced:	NF3O5H14C16 (1)
Stoich.:	AB3C5D14E16 (1)
Weight, g/mol:	321.14887
ΔH_f, kcal/mol:	-327.03
Dipole, Da:	4.71
IP(EA), eV:	-10.38(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)C(=O)CC3=CC=C(C=C3)C(F)(F)F)C(=O)O)C(=O)O

DOS

IR

Vibrations